BioLiP

PDB

BioLiP

PDB CCD ID:

P7M

Number of entries in BioLiP:

Chemical formula:

C11 H6 Br Cl2 N O3 S2

InChI:

InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)

InChIKey:

WWONFUQGBVOKOF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc(c(Cl)c1)C(=O)N[S](=O)(=O)c2sc(Br)cc2
OpenEye OEToolkits 2.0.7	c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br
ACDLabs 12.01	c1c(Cl)ccc(c1Cl)C(=O)NS(c2sc(cc2)Br)(=O)=O

Name:

N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide;
Tasisulam

ChEMBL:

CHEMBL2110587

DrugBank:

DB11941

ZINC:

ZINC000003816311

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).